3-[(4-fluoroanilino)methyl]piperidin-3-ol

C12H17FN2O — CID 105482018

IUPAC3-[(4-fluoroanilino)methyl]piperidin-3-ol
SMILESOC1(CNc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C12H17FN2O/c13-10-2-4-11(5-3-10)15-9-12(16)6-1-7-14-8-12/h2-5,14-16H,1,6-9H2
InChIKeyICKFBFZEJSICKC-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.35
Rot. Bonds3

About 3-[(4-fluoroanilino)methyl]piperidin-3-ol

3-[(4-fluoroanilino)methyl]piperidin-3-ol (PubChem CID 105482018) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[(4-fluoroanilino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-fluoroanilino)methyl]piperidin-3-ol
PubChem CID105482018
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[(4-fluoroanilino)methyl]piperidin-3-ol
SMILESOC1(CNc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C12H17FN2O/c13-10-2-4-11(5-3-10)15-9-12(16)6-1-7-14-8-12/h2-5,14-16H,1,6-9H2
InChIKeyICKFBFZEJSICKC-UHFFFAOYSA-N
XLogP1.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoroanilino)methyl]piperidin-3-ol?
The IUPAC name of 3-[(4-fluoroanilino)methyl]piperidin-3-ol (CID 105482018) is 3-[(4-fluoroanilino)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(4-fluoroanilino)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(4-fluoroanilino)methyl]piperidin-3-ol is OC1(CNc2ccc(F)cc2)CCCNC1.
What is the InChIKey of 3-[(4-fluoroanilino)methyl]piperidin-3-ol?
The InChIKey is ICKFBFZEJSICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-2-4-11(5-3-10)15-9-12(16)6-1-7-14-8-12/h2-5,14-16H,1,6-9H2.
What are the key properties of 3-[(4-fluoroanilino)methyl]piperidin-3-ol?
3-[(4-fluoroanilino)methyl]piperidin-3-ol has a molecular weight of 224.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoroanilino)methyl]piperidin-3-ol is sourced from PubChem (CID 105482018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).